Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2cccc(CBr)c2)cc1- InChIKey
XSBJPGJHEJAGFG-UHFFFAOYSA-N- Molecular formula
- C16H15BrO2
- Average molar mass
- 319.19 g/mol
- Monoisotopic mass
- 318.02554
Names & identifiers
- Preferred name
- 3'-Bromomethyl-biphenyl-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[3-(bromomethyl)phenyl]benzoate
Names & synonyms
SCHEMBL4726691XSBJPGJHEJAGFG-UHFFFAOYSA-N3'-bromomethyl-biphenyl-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58610587
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
4 records
Compound notes
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